CID 82718497

3-(aminomethyl)-2-methyloxolan-3-ol

Structural Information

Molecular Formula
C6H13NO2
SMILES
CC1C(CCO1)(CN)O
InChI
InChI=1S/C6H13NO2/c1-5-6(8,4-7)2-3-9-5/h5,8H,2-4,7H2,1H3
InChIKey
JPSVZTKDIWJGDJ-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-2-methyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.09464 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.10192 125.9
[M+Na]+ 154.08386 132.9
[M-H]- 130.08736 128.4
[M+NH4]+ 149.12846 149.2
[M+K]+ 170.05780 133.0
[M+H-H2O]+ 114.09190 122.1
[M+HCOO]- 176.09284 147.6
[M+CH3COO]- 190.10849 169.3
[M+Na-2H]- 152.06931 131.9
[M]+ 131.09409 123.0
[M]- 131.09519 123.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.